1-Acetoxy-4-diethylamino-2-butyne - CAS 22396-77-6
Catalog: |
BB017574 |
Product Name: |
1-Acetoxy-4-diethylamino-2-butyne |
CAS: |
22396-77-6 |
Synonyms: |
4-(diethylamino)but-2-ynyl acetate |
IUPAC Name: | 4-(diethylamino)but-2-ynyl acetate |
Description: | 1-Acetoxy-4-diethylamino-2-butyne (CAS# 22396-77-6 ) is a useful research chemical. |
Molecular Weight: | 183.25 |
Molecular Formula: | C10H17NO2 |
Canonical SMILES: | CCN(CC)CC#CCOC(=O)C |
InChI: | InChI=1S/C10H17NO2/c1-4-11(5-2)8-6-7-9-13-10(3)12/h4-5,8-9H2,1-3H3 |
InChI Key: | AQEDWWHCJSXKHP-UHFFFAOYSA-N |
Boiling Point: | 217-218 °C |
Density: | 0.961 g/cm3 |
Appearance: | Colorless to pale yellow liquid |
MDL: | MFCD00190224 |
LogP: | 0.89470 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2013159135-A1 | Dispersion ink | 20120423 |
US-2011087042-A1 | Crystalline oxybutynin and process for preparing the same | 20080204 |
WO-2009122429-A2 | Crystalline oxybutynin and process for preparing the same | 20080204 |
US-2009191479-A1 | Resin composition for laser engraving, relief printing plate precursor for laser engraving, relief printing plate and method of producing the same | 20080129 |
US-8273520-B2 | Resin composition for laser engraving, relief printing plate precursor for laser engraving, relief printing plate and method of producing the same | 20080129 |
Complexity: | 208 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 183.125928785 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 183.125928785 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 29.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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